| SpectraBase Compound ID | D1XPAevc29n |
|---|---|
| InChI | InChI=1S/C22H26O6/c1-11(2)16-8-7-15-10-18(28-22(15)26)19(12(3)4)17(24)9-13(5)20(25)21(16)27-14(6)23/h9-10,16,18-19,21H,1,3,7-8H2,2,4-6H3/b13-9-/t16-,18+,19-,21-/m0/s1 |
| InChIKey | INCMLVABIJDPHM-CLBOVIMVSA-N |
| Mol Weight | 386.44 g/mol |
| Molecular Formula | C22H26O6 |
| Exact Mass | 386.172939 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6GCizKcPZIL |
|---|---|
| Name | Kallolide H |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 386.172938551 u |
| Formula | C22H26O6 |
| InChI | InChI=1S/C22H26O6/c1-11(2)16-8-7-15-10-18(28-22(15)26)19(12(3)4)17(24)9-13(5)20(25)21(16)27-14(6)23/h9-10,16,18-19,21H,1,3,7-8H2,2,4-6H3/b13-9-/t16-,18+,19-,21-/m0/s1 |
| InChIKey | INCMLVABIJDPHM-CLBOVIMVSA-N |
| Molecular Weight | 386.444 g/mol |
| SMILES | [C@@]1(C(\C(=C/C([C@](C(=C)C)([C@]2(C=C(C(O2)=O)CC[C@]1(C(=C)C)[H])[H])[H])=O)C)=O)(OC(=O)C)[H] |